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(1S,7S,8R)-2,6-bis[(Angeloyl)oxy]-1,4-dimethyl-8-hydroxy-8-isopropylbicyclo[5.3.0]dec-3-ene
SpectraBase Compound ID AHU0xW40gTL
InChI InChI=1S/C25H38O5/c1-9-17(6)22(26)29-19-13-16(5)14-20(30-23(27)18(7)10-2)24(8)11-12-25(28,15(3)4)21(19)24/h9-10,14-15,19-21,28H,11-13H2,1-8H3/b17-9+,18-10+/t19?,20?,21-,24-,25-/m1/s1
InChIKey FVVSHRMUDMBKFA-ZVBICURYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C25H38O5
Exact Mass 418.271924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E42sYD7Dd6d
Name (1S,7S,8R)-2,6-bis[(Angeloyl)oxy]-1,4-dimethyl-8-hydroxy-8-isopropylbicyclo[5.3.0]dec-3-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38O5
InChI InChI=1S/C25H38O5/c1-9-17(6)22(26)29-19-13-16(5)14-20(30-23(27)18(7)10-2)24(8)11-12-25(28,15(3)4)21(19)24/h9-10,14-15,19-21,28H,11-13H2,1-8H3/b17-9+,18-10+/t19?,20?,21-,24-,25-/m1/s1
InChIKey FVVSHRMUDMBKFA-ZVBICURYSA-N
Molecular Weight 418.574 g/mol
SMILES O[C@@]1([C@]2([C@@](C(OC(\C(=C\C)C)=O)C=C(CC2OC(\C(=C\C)C)=O)C)(CC1)C)[H])C(C)C
SPLASH splash10-004i-0910000000-a3ba6d0d2a887e9f3559
Source of Spectrum X2-51-1144-1
Synonyms (1R,3aS,8aS)-1-hydroxy-1-isopropyl-3a,6-dimethyl-8-{[(2E)-2-methyl-2-butenoyl]oxy}-1,2,3,3a,4,7,8,8a-octahydro-4-azulenyl (2E)-2-methyl-2-butenoate 1,5-bis[(Angeloyl)oxy]-3,7-dimethyl-8-hydroxy-8-isopropylbicyclo[5.3.0]dec-2-ene
Wiley ID 1602917